CID 72447817

1-[(tert-butoxy)carbonyl]-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C25H28N2O6
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H28N2O6/c1-24(2,3)33-23(31)27-13-12-25(15-27,21(28)29)26-22(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,26,30)(H,28,29)
InChIKey
HBGXFNDIESDQNB-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.19473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20201 208.4
[M+Na]+ 475.18395 212.0
[M-H]- 451.18745 214.0
[M+NH4]+ 470.22855 221.9
[M+K]+ 491.15789 209.7
[M+H-H2O]+ 435.19199 202.1
[M+HCOO]- 497.19293 222.2
[M+CH3COO]- 511.20858 229.2
[M+Na-2H]- 473.16940 207.9
[M]+ 452.19418 210.9
[M]- 452.19528 210.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.